Basic information
- CAS
5390-54-5- Standard SMILES
C=CC(=O)OCC(CC)[N+](=O)[O-]- InChIKey
KDDXAKYGDJGCLF-UHFFFAOYSA-N- Molecular formula
- C7H11NO4
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.06880783
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2-nitrobutyl ester
- IUPAC
- 2-nitrobutyl prop-2-enoate
- English name
- 2-nitrobutyl acrylate
- Molecular formula
- C7H11NO4
- Molecular weight
- 173.17
Names & synonyms
5390-54-52-Propenoic acid, 2-nitrobutyl esterEINECS 226-384-1AI3-03843DTXSID30884153RefChem:89273DTXCID1010236182-Nitrobutyl acrylate2-nitrobutyl prop-2-enoateSCHEMBL3181926KDDXAKYGDJGCLF-UHFFFAOYSA-NNS00043572
Show more names
*Ethyl Acetate Impurity 253Propenoic acid 2-nitrobutyl ester
Database identifiers
- CAS
5390-54-5- PubChem CID
- 110651
- DTXSID
DTXSID30884153- EC Number
- 226-384-1
- Nikkaji
- J217.939C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Boiling point
- 102 °C · 102 °C(Press: 6 Torr)
- Density
- 1.112 g/cm3 · 1.112 g/cm3(Temp: 25 °C)
- pka
- 6.7 · 6.70±0.13(Predicted)
- EPA Substance Registry System
- 2 · 2-Nitrobutyl acrylate (5390-54-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenoic acid, 2-nitrobutyl ester: INACTIVE
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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